ACCESSION: MSBNK-Waters-WA001511
RECORD_TITLE: Nalorphine; LC-ESI-Q; MS; POS; 75 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC

CH$NAME: Nalorphine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₉H₂₁NO₃
CH$EXACT_MASS: 311.15214
CH$SMILES: C=CCN(C5)C(C3)C([H])(C=4)C(C5)(C(C(O)C4)1)c(c23)c(c(O)cc2)O1
CH$IUPAC: InChI=1S/C19H21NO3/c1-2-8-20-9-7-19-12-4-6-15(22)18(19)23-17-14(21)5-3-11(16(17)19)10-13(12)20/h2-6,12-13,15,18,21-22H,1,7-10H2/t12-,13+,15-,18-,19-/m0/s1
CH$LINK: CAS 62-67-9
CH$LINK: INCHIKEY UIQMVEYFGZJHCZ-SSTWWWIQSA-N
CH$LINK: COMPTOX DTXSID3023348

AC$INSTRUMENT: ZQ, Waters
AC$INSTRUMENT_TYPE: LC-ESI-Q
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$CHROMATOGRAPHY: RETENTION_TIME 7.000 min
AC$CHROMATOGRAPHY: COLUMN_NAME 2.1 mm id - 3. 5{mu}m XTerra C18MS
AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 35 C
AC$CHROMATOGRAPHY: SAMPLING_CONE 75 V

MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5

PK$SPLASH: splash10-03di-0952000000-d0aed09ed31d693cc7fe
PK$NUM_PEAK: 129
PK$PEAK: m/z int. rel.int.
  103 8 8
  105 24 24
  107 16 16
  108 27 27
  110 12 12
  115 16 16
  117 35 35
  118 12 12
  119 8 8
  120 16 16
  121 31 31
  123 59 59
  126 16 16
  128 8 8
  129 16 16
  130 8 8
  131 16 16
  132 125 125
  133 16 16
  135 8 8
  136 8 8
  137 8 8
  141 24 24
  143 20 20
  144 27 27
  145 118 118
  146 16 16
  147 110 110
  148 165 165
  149 24 24
  150 118 118
  151 16 16
  153 157 157
  154 16 16
  155 168 168
  156 8 8
  157 125 125
  158 20 20
  159 20 20
  160 20 20
  161 35 35
  162 71 71
  163 16 16
  164 20 20
  165 188 188
  166 43 43
  167 24 24
  168 16 16
  169 35 35
  170 12 12
  171 78 78
  172 20 20
  173 196 196
  174 31 31
  175 27 27
  176 12 12
  178 16 16
  179 24 24
  180 8 8
  181 278 278
  182 27 27
  183 219 219
  184 43 43
  185 239 239
  186 74 74
  187 47 47
  188 27 27
  189 12 12
  190 16 16
  191 78 78
  192 8 8
  193 98 98
  194 31 31
  195 24 24
  196 12 12
  197 35 35
  198 59 59
  199 125 125
  200 43 43
  201 474 474
  202 63 63
  203 20 20
  204 8 8
  206 12 12
  207 27 27
  208 8 8
  209 219 219
  210 39 39
  211 188 188
  212 31 31
  213 31 31
  214 24 24
  215 12 12
  216 20 20
  218 8 8
  219 47 47
  220 8 8
  221 43 43
  222 12 12
  223 16 16
  224 31 31
  225 27 27
  226 43 43
  227 172 172
  228 27 27
  229 106 106
  230 8 8
  234 20 20
  235 12 12
  236 12 12
  237 31 31
  238 16 16
  239 20 20
  240 8 8
  241 12 12
  242 24 24
  243 12 12
  252 74 74
  253 27 27
  254 20 20
  270 149 149
  271 39 39
  288 8 8
  294 20 20
  312 999 999
  313 165 165
  314 16 16
  330 20 20
  350 8 8
//